Table 1.
Refined unit cell parameters, atomic positions and reliability factors for the SrFe12−xInxO19 (x = 0.1–1.2) samples obtained by the Rietveld method in framework of the P63/mmc (No. 194) space group at room temperature. Fixed atomic positions for this case are: Sr (2d) (2/3, 1/3, 1/4), Fe1 (2a) (0, 0, 0); Fe2 (2b) (0, 0, 1/4); (Fe/In)3 (4fIV) (1/3, 2/3, z); (Fe/In)4 (4fV I) (1/3, 2/3, z); (Fe/In)5 (12 k) (x, 2x, z); O1 (4e) (0, 0, z); O2 (4f.) (1/3, 2/3, z); O3 (6 h) (x, 2x, 1/4); O4 (12 k) (x, 2x, z); O5 (12 k) (x, 2x, z).
| Unit cell parameters and atoms | x | |||
|---|---|---|---|---|
| 0.1 | 0.3 | 0.6 | 1.2 | |
| a, (Å) | 5.8779 (3) | 5.8930 (2) | 5.9042 (3) | 5.9148 (4) |
| c, (Å) | 23.0424 (3) | 23.0980 (5) | 23.1495 (4) | 23.2196 (4) |
| V, (Å3) | 689.53 (3) | 694.68 (3) | 698.86 (4) | 703.74 (4) |
| Fe3/In (4fIV) | ||||
| z | 0.0308 (5) | 0.0315 (6) | 0.0284 (5) | 0.0225 (4) |
| Fe4/In (4fVI) | ||||
| z | 0.1931 (4) | 0.1892 (5) | 0.1892 (4) | 0.1869 (3) |
| Fe5/In (12 k) | ||||
| x | 0.1849 (11) | 0.1683 (19) | 0.1684 (17) | 0.1624 (3) |
| z | − 0.1087 (3) | − 0.1098 (2) | − 0.1097 (2) | − 0.1079 (4) |
| O1 (4e) | ||||
| z | 0.1437 (6) | 0.1539 (8) | 0.1526 (7) | 0.1512 (6) |
| O2 (4f.) | ||||
| z | − 0.0369 (5) | − 0.0501 (9) | − 0.0548 (8) | − 0.0618 (7) |
| O3 (6 h) | ||||
| x | 0.1709 (5) | 0.1815 (45) | 0.1798 (42) | 0.1942 (3) |
| O4 (12 k) | ||||
| x | 0.1646 (3) | 0.1587 (31) | 0.1563 (28) | 0.1606 (3) |
| z | 0.0551 (2) | 0.0553 (4) | 0.0537 (4) | 0.0545 (5) |
| O5 (12 k) | ||||
| x | 0.4939 (3) | 0.5112 (32) | 0.5059 (36) | 0.5078 (3) |
| z | 0.1532 (2) | 0.1533 (4) | 0.1515 (3) | 0.1506 (2) |
| Rwp, % | 6.09 | 13.4 | 12.2 | 5.78 |
| Rexp, % | 3.78 | 11.70 | 11.30 | 4.02 |
| RB, % | 4.46 | 17.8 | 12.5 | 5.15 |
| RMag, % | 5.32 | 23.7 | 10.7 | 5.64 |
| χ2 | 2.24 | 1.32 | 1.17 | 2.08 |